0 B8R1.7 B(C1=CC=C[CH]1)(O)O DA-33630 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.7 C1=CC(=C(Cl)Cl)C=C1 DA-36722 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.7 C1C=C(CO1)C(=O)O DA-27535 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.7 CC(=O)c1[nH]ncn1 DA-31636 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.7 CC(=O)c1ncno1 DA-31746 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.7 CC(c1ccon1)N DA-30613 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.7 CC(c1cscn1)Cl DA-23022 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.7 c1c(nco1)C(=O)Cl DA-39022 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.7 c1c(nsn1)C(=O)Cl DA-30344 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.7 c1cc(oc1)C(=N)N DA-33618 [0,0,0,0,0,0|2,0,0]=2 10 B7R1.1 C1C=C(CS1)C=O DA-27203 [1,0,0,0,0,0|2,0,1]=4 11 B7R1.1 CCc1cscn1 DA-39415 [1,0,0,0,0,0|2,0,1]=4 12 B7R1.1 CSc1cncs1 DA-38363 [1,0,0,0,0,0|2,1,0]=4 13 B7R1.1 c1c(ocn1)CN DA-38882 [1,0,0,0,0,0|2,0,1]=4 14 B7R1.1 c1c(snn1)C=O DA-30357 [1,0,0,0,0,0|2,1,0]=4 15 B7R1.1 c1cc([nH]c1)CN DA-29370 [1,0,0,0,0,0|2,0,1]=4 16 B7R1.1 c1csnc1C=O DA-23476 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.11 CC(C=O)c1cccs1 DA-27569 [0,1,0,0,0,0|0,1,1]=3 18 B9R1.11 CC(c1cccs1)NC DA-43516 [0,1,0,0,0,0|1,1,1]=4 19 B9R1.11 CCC(=O)c1ccsc1 DA-31133 [0,1,0,0,0,0|2,0,0]=3 20 B9R1.11 COC(=N)c1cscn1 DA-43488 [0,1,0,0,0,0|3,0,0]=4 21 B9R1.11 COC(=O)N1CC=CC1 DA-41841 [0,1,0,0,0,0|2,0,1]=4 22 B9R1.11 c1c(ncs1)C(=O)CBr DA-26957 [0,1,0,0,0,0|2,0,0]=3 23 B9R1.11 c1c(ncs1)C(=O)CCl DA-26699 [0,1,0,0,0,0|2,0,0]=3 24 B9R1.11 c1cnoc1C(=O)NN DA-37231 [0,1,0,0,0,0|2,0,0]=3 25 B9R1.19 CS(=O)(=O)c1[nH]ccn1 DA-27646 [0,1,0,0,0,0|3,0,0]=4 26 B9R1.35 CC(=O)c1cc(sc1)Br DA-30857 [0,1,0,0,0,0|2,0,0]=3 27 B9R1.35 CC(=O)c1csc(n1)N DA-31500 [0,1,0,0,0,0|2,0,0]=3 28 B9R1.35 CC(=O)c1csc(n1)N DA-31501 [0,1,0,0,0,0|2,0,0]=3 29 B9R1.35 CC(C)c1cnc(o1)N DA-37235 [0,1,0,0,0,0|2,0,1]=4 30 B9R1.35 CC(c1ccc(s1)Br)O DA-30878 [0,1,0,0,0,0|0,1,2]=4 31 B9R1.35 Cc1cc(oc1)C(=O)O DA-39140 [0,1,0,0,0,0|1,0,0]=2 32 B9R1.35 c1(nc(no1)Br)C(=O)O DA-24081 [0,1,0,0,0,0|3,0,0]=4 33 B9R1.35 c1c([nH]c(=S)s1)C(=O)O DA-27411 [0,1,0,0,0,0|3,0,0]=4 34 B9R1.35 c1c(c[nH]c1C(=O)N)Cl DA-39743 [0,1,0,0,0,0|2,0,0]=3 35 B9R1.35 c1c(coc1C(=O)Cl)Br DA-39933 [0,1,0,0,0,0|1,0,0]=2 36 B9R1.35 c1c(coc1C(=O)N)Br DA-39932 [0,1,0,0,0,0|1,0,0]=2 37 B9R1.35 c1c(coc1C(=O)O)Cl DA-39695 [0,1,0,0,0,0|1,0,0]=2 38 B9R1.35 c1c(csc1C(=O)O)N DA-21452 [0,1,0,0,0,0|1,1,0]=3 39 B9R1.35 c1c(csc1I)C(=O)O DA-37272 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.35 c1c(nc(o1)Br)C(=O)O DA-26829 [0,1,0,0,0,0|3,0,0]=4 41 B9R1.35 c1c(nc(o1)C(=O)O)Br DA-39914 [0,1,0,0,0,0|2,0,0]=3 42 B9R1.35 c1c(nc(s1)Cl)C(=O)Cl DA-26353 [0,1,0,0,0,0|3,0,0]=4 43 B9R1.35 c1c(oc(=O)[nH]1)C(=O)O DA-27415 [0,1,0,0,0,0|2,0,0]=3 44 B9R1.35 c1c(onc1N)C(=O)O DA-24177 [0,1,0,0,0,0|2,0,0]=3 45 B9R1.35 c1c(s[nH]c1=O)C(=O)N DA-27400 [0,1,0,0,0,0|2,1,0]=4 46 B9R1.35 c1c(sc(n1)C(=O)N)N DA-38032 [0,1,0,0,0,0|2,1,0]=4 47 B9R1.41 CC(=O)c1ccsc1Br DA-31492 [0,1,0,0,0,0|2,0,0]=3 48 B9R1.41 Cc1c(con1)C(=O)C DA-42021 [0,1,0,0,0,0|3,0,0]=4 49 B9R1.41 c1[nH]c(c(n1)C(=O)O)Br DA-37925 [0,1,0,0,0,0|3,0,0]=4 50 B9R1.41 c1[nH]c(c(n1)C(=O)O)Cl DA-37625 [0,1,0,0,0,0|3,0,0]=4 51 B9R1.41 c1c(c(n[nH]1)C(=O)N)N DA-21493 [0,1,0,0,0,0|3,0,0]=4 52 B9R1.41 c1c(c(no1)C(=O)O)O DA-39350 [0,1,0,0,0,0|3,0,0]=4 53 B9R1.41 c1c(c(ns1)C(=O)O)N DA-41553 [0,1,0,0,0,0|3,0,0]=4 54 B9R1.41 c1c[nH]c(c1Br)C(=O)O DA-24076 [0,1,0,0,0,0|2,0,0]=3 55 B9R1.41 c1c[nH]c(c1Cl)C(=O)O DA-23866 [0,1,0,0,0,0|2,0,0]=3 56 B9R1.41 c1coc(c1C(=O)Cl)I DA-28917 [0,1,0,0,0,0|3,0,0]=4 57 B9R1.41 c1coc(c1C(=O)O)Cl DA-26661 [0,1,0,0,0,0|3,0,0]=4 58 B9R1.41 c1coc(c1C(=O)O)I DA-28916 [0,1,0,0,0,0|3,0,0]=4 59 B9R1.41 c1csc(c1C(=O)O)I DA-26099 [0,1,0,0,0,0|3,0,0]=4 60 B9R1.41 c1csc(c1Cl)[N+](=O)[O-] DA-23846 [0,1,0,0,0,0|2,1,0]=4 61 B9R1.41 c1nc(c(s1)N)C(=O)N DA-38012 [0,1,0,0,0,0|3,0,0]=4 62 B9R1.6 C1CC(=CC=C1)C(=O)N DA-30288 [0,0,0,0,0,1|2,0,0]=3 63 B9R1.13 CC(=O)Nc1cncs1 DA-42497 [0,0,0,0,0,1|1,1,0]=3 64 B9R1.13 CC(=O)Nc1cscn1 DA-41636 [0,0,0,0,0,1|2,0,0]=3 65 B9R1.13 c1c[nH]nc1CC(=O)O DA-29345 [0,0,0,0,0,1|3,0,0]=4 66 B9R1.13 c1c[nH]nc1CC(=O)O DA-47554 [0,0,0,0,0,1|3,0,0]=4 67 B6R0.4 CC(=O)OCC=O DA-27942 [1,0,1,0,0,0|1,0,1]=4 68 B6R0.6 C=CCOCC=O DA-27938 [1,0,1,0,0,0|0,0,2]=4 69 B6R1.2 C1=C[CH]C(=C1)Br DA-30508 [2,0,0,0,0,0|2,0,0]=4 70 B6R1.2 Cc1ccc[nH]1 DA-25958 [2,0,0,0,0,0|1,0,0]=3 71 B6R1.2 c1cc(oc1)I DA-26085 [2,0,0,0,0,0|1,0,0]=3 72 B8R1.1 COc1cc(cs1)Br DA-23146 [1,1,0,0,0,0|1,1,0]=4 73 B8R1.1 Cc1cc(sc1)OC DA-28915 [1,1,0,0,0,0|1,1,0]=4 74 B8R1.1 Cc1ccc(o1)CCl DA-42213 [1,1,0,0,0,0|1,0,1]=4 75 B8R1.1 Cc1ccc(s1)C=C DA-26289 [1,1,0,0,0,0|0,1,1]=4 76 B8R1.1 Cn1ccc(c1)C=O DA-29229 [1,1,0,0,0,0|2,0,0]=4 77 B8R1.1 c1c(c[nH]c1C=O)I DA-39315 [1,1,0,0,0,0|1,0,0]=3 78 B8R1.1 c1c(coc1CCl)Br DA-39976 [1,1,0,0,0,0|1,0,1]=4 79 B8R1.1 c1cc(oc1CCl)Br DA-26816 [1,1,0,0,0,0|1,0,1]=4 80 B8R1.1 c1cc(oc1CO)Br DA-37835 [1,1,0,0,0,0|0,0,2]=4 81 B8R1.1 c1cc(sc1C=O)I DA-37277 [1,1,0,0,0,0|0,1,0]=3 82 B8R1.8 C=CCc1cccs1 DA-28564 [1,1,0,0,0,0|0,1,1]=4 83 B8R1.8 CC#Cc1cnco1 DA-38828 [1,1,0,0,0,0|1,0,1]=4 84 B8R1.11 Cc1ccsc1C=C DA-26290 [1,1,0,0,0,0|0,1,1]=4 85 B8R1.11 Cn1cccc1SC DA-29221 [1,1,0,0,0,0|2,0,0]=4 86 B8R1.11 c1c(c(n[nH]1)C=O)I DA-39317 [1,1,0,0,0,0|2,0,0]=4 87 B8R1.11 c1csc(c1O)C=O DA-23565 [1,1,0,0,0,0|0,1,0]=3 88 B10R1.13 CC(=C)c1ccc(nc1)Br DA-26820 [0,1,0,0,0,1|2,0,0]=4 89 B10R1.13 CC(=C)c1cnc(cn1)Br DA-26808 [0,1,0,0,0,1|2,0,0]=4 90 B10R1.13 CC(=O)c1ccc(cn1)N DA-30880 [0,1,0,0,0,1|1,0,0]=3 91 B10R1.13 CC(=O)c1ccc(nn1)Cl DA-43261 [0,1,0,0,0,1|1,0,0]=3 92 B10R1.13 CS(=O)c1ccc(cc1)N DA-22158 [0,1,0,0,0,1|2,0,0]=4 93 B10R1.13 Cc1ccc(cc1)S(=O)C DA-31695 [0,1,0,0,0,1|2,0,0]=4 94 B10R1.13 Cc1ccc(nn1)C(=O)C DA-40581 [0,1,0,0,0,1|1,0,0]=3 95 B10R1.13 Cc1cnc(cn1)C(=O)Cl DA-37121 [0,1,0,0,0,1|2,0,0]=4 96 B10R1.15 CNC(=N)c1ccccc1 DA-42718 [0,1,0,0,0,1|2,0,0]=4 97 B10R1.15 COC(=N)c1cccnc1 DA-42038 [0,1,0,0,0,1|2,0,0]=4 98 B10R1.28 CS(=O)(=O)c1cnccn1 DA-27640 [0,1,0,0,0,1|2,0,0]=4 99 B10R1.61 CC(=C)c1ccncc1Br DA-45719 [0,1,0,0,0,1|2,0,0]=4 100 B10R1.61 CC(=O)c1cnccc1Br DA-31034 [0,1,0,0,0,1|1,0,0]=3 101 B10R1.61 CS(=O)c1ccccc1N DA-27649 [0,1,0,0,0,1|2,0,0]=4 102 B10R1.61 Cc1cccnc1C(=O)Cl DA-23313 [0,1,0,0,0,1|2,0,0]=4 103 B10R1.61 c1cc(c(=O)oc1)C(=O)Cl DA-25732 [0,1,0,0,0,1|1,0,0]=3 104 B10R1.61 c1cc(c(=O)oc1)C(=O)O DA-25731 [0,1,0,0,0,1|1,0,0]=3 105 B10R1.113 CC(=C)c1cc(cnc1)N DA-38350 [0,1,0,0,0,1|2,0,0]=4 106 B10R1.113 Cc1cc(ccn1)C(=O)Cl DA-25798 [0,1,0,0,0,1|2,0,0]=4 107 B10R1.113 Cc1ccnc(c1)C(=O)Cl DA-39066 [0,1,0,0,0,1|2,0,0]=4 108 B10R1.113 c1c(nc(cn1)N)C(=O)N DA-42773 [0,1,0,0,0,1|2,0,0]=4 109 B10R1.113 c1cc([nH]c(=O)c1)C(=O)Cl DA-30155 [0,1,0,0,0,1|2,0,0]=4 110 B10R1.113 c1cnc(cc1Br)C(=O)Cl DA-39794 [0,1,0,0,0,1|2,0,0]=4 111 B10R1.113 c1cnc(cc1C(=O)Cl)Br DA-26745 [0,1,0,0,0,1|2,0,0]=4 112 B10R1.113 c1cnc(nc1C(=O)O)Cl DA-44173 [0,1,0,0,0,1|2,0,0]=4 113 B10R1.113 c1coc(cc1=O)C(=O)O DA-39015 [0,1,0,0,0,1|1,0,0]=3 114 B10R1.27 COC(=O)Cc1cc[nH]n1 DA-29344 [0,1,0,0,0,1|2,0,0]=4 115 B10R1.27 c1cc(sc1)CC(=O)NN DA-27570 [0,1,0,0,0,1|1,1,0]=4 116 B10R1.54 CC(=O)Nc1cnc(s1)Br DA-42168 [0,1,0,0,0,1|1,1,0]=4 117 B10R1.54 CC(=O)Nc1csc(n1)Br DA-41637 [0,1,0,0,0,1|2,0,0]=4 118 B10R1.54 CC(=O)Nc1ncc(s1)N DA-41340 [0,1,0,0,0,1|1,1,0]=4 119 B10R1.54 c1cc(sc1CC(=O)O)Cl DA-37545 [0,1,0,0,0,1|1,1,0]=4 120 B10R1.54 c1cc(sc1CC(=O)O)I DA-37278 [0,1,0,0,0,1|1,1,0]=4 121 B10R1.64 CC(=O)Nc1c(ncs1)Br DA-42171 [0,1,0,0,0,1|1,1,0]=4 122 B10R1.64 CC(=O)Nc1nccn1C DA-41492 [0,1,0,0,0,1|2,0,0]=4 123 B10R1.11 CCOC(=O)c1ccn[nH]1 DA-43287 [0,2,0,0,0,0|2,0,0]=4 124 B10R1.14 CCC(=O)c1cc(cs1)Br DA-31075 [0,2,0,0,0,0|0,1,0]=3 125 B10R1.14 CNC(=O)c1cc(sc1)Br DA-37656 [0,2,0,0,0,0|2,0,0]=4 126 B10R1.14 CNC(=O)c1ncc(s1)N DA-40304 [0,2,0,0,0,0|1,1,0]=4 127 B10R1.14 COC(=O)c1cc(no1)N DA-32732 [0,2,0,0,0,0|1,0,0]=3 128 B10R1.14 COC(=O)c1cc(sc1)I DA-32298 [0,2,0,0,0,0|2,0,0]=4 129 B10R1.14 COC(=O)c1ccc(o1)Cl DA-32329 [0,2,0,0,0,0|0,0,0]=2 130 B10R1.14 COC(=O)c1cnc(s1)S DA-40841 [0,2,0,0,0,0|1,1,0]=4 131 B10R1.14 COC(=O)c1csc(n1)N DA-33022 [0,2,0,0,0,0|2,0,0]=4 132 B10R1.14 COC(=O)c1csc(n1)N DA-33023 [0,2,0,0,0,0|2,0,0]=4 133 B10R1.14 Cc1ccc(s1)C(=O)CCl DA-26696 [0,2,0,0,0,0|0,1,0]=3 134 B10R1.14 Cn1ccc(c1)C(=O)OC DA-33322 [0,2,0,0,0,0|2,0,0]=4 135 B10R1.14 c1c(csc1C(=O)CBr)Br DA-26962 [0,2,0,0,0,0|0,1,0]=3 136 B10R1.14 c1c(nc(s1)N)C(=O)CBr DA-31504 [0,2,0,0,0,0|2,0,0]=4 137 B10R1.14 c1c(nc(s1)N)C(=O)CBr DA-31512 [0,2,0,0,0,0|2,0,0]=4 138 B10R1.14 c1c(nc(s1)N)C(=O)CCl DA-31502 [0,2,0,0,0,0|2,0,0]=4 139 B10R1.14 c1c(nc(s1)N)C(=O)CCl DA-31503 [0,2,0,0,0,0|2,0,0]=4 140 B10R1.14 c1c(nc(s1)N)C(=O)CO DA-31511 [0,2,0,0,0,0|2,0,0]=4 141 B10R1.14 c1cc(sc1C(=O)CCl)Cl DA-26698 [0,2,0,0,0,0|0,1,0]=3 142 B10R1.149 COC(=O)c1c([nH]cn1)Br DA-32360 [0,2,0,0,0,0|2,0,0]=4 143 B10R1.149 COC(=O)c1c([nH]cn1)Cl DA-32340 [0,2,0,0,0,0|2,0,0]=4 144 B10R1.149 COC(=O)c1c(cc[nH]1)Br DA-32727 [0,2,0,0,0,0|1,0,0]=3 145 B10R1.149 COC(=O)c1ccsc1Cl DA-32989 [0,2,0,0,0,0|2,0,0]=4 146 B10R1.149 Cc1c(scn1)C(=O)CBr DA-26958 [0,2,0,0,0,0|1,1,0]=4 147 B10R1.149 Cc1cc[nH]c1C(=O)OC DA-32671 [0,2,0,0,0,0|1,0,0]=3 148 B10R1.149 Cc1ccsc1C(=O)CBr DA-26966 [0,2,0,0,0,0|0,1,0]=3 149 B10R1.149 Cc1cscc1C(=O)OC DA-32435 [0,2,0,0,0,0|2,0,0]=4 150 B10R1.149 Cn1cccc1C(=O)NN DA-29231 [0,2,0,0,0,0|2,0,0]=4 151 B10R1.149 c1csc(c1Br)C(=O)NN DA-23887 [0,2,0,0,0,0|1,1,0]=4 152 B10R1.31 c1cc(oc1CBr)[N+](=O)[O-] DA-27800 [0,2,0,0,0,0|2,0,0]=4 153 B10R1.31 c1cc(oc1CN)C(=O)O DA-38497 [0,2,0,0,0,0|1,0,0]=3 154 B10R1.58 Cc1c(cc([nH]1)C(=O)O)I DA-39298 [0,2,0,0,0,0|2,0,0]=4 155 B10R1.58 Cc1cc(nn1C)C(=O)C DA-31654 [0,2,0,0,0,0|2,0,0]=4 156 B10R1.58 c1c(c(oc1C(=O)Cl)Br)Br DA-21994 [0,2,0,0,0,0|1,0,0]=3 157 B10R1.58 c1c(c(oc1C(=O)O)Cl)Cl DA-21984 [0,2,0,0,0,0|1,0,0]=3 158 B10R1.58 c1c(c(sc1C(=O)O)Br)Cl DA-37751 [0,2,0,0,0,0|1,1,0]=4 159 B10R1.58 c1c(c(sc1C(=O)O)Cl)Br DA-39853 [0,2,0,0,0,0|1,1,0]=4 160 B10R1.59 CC(=O)c1c(cc(s1)Br)Cl DA-31737 [0,2,0,0,0,0|0,1,0]=3 161 B10R1.59 CC(=O)c1cc(sc1Br)Br DA-24372 [0,2,0,0,0,0|2,0,0]=4 162 B10R1.59 Cc1c(nc(s1)N)C(=O)C DA-31506 [0,2,0,0,0,0|2,0,0]=4 163 B10R1.59 Cc1c(sc(=O)[nH]1)C(=O)C DA-38108 [0,2,0,0,0,0|1,1,0]=4 164 B10R1.59 Cc1c(sc(n1)Br)C(=O)C DA-31489 [0,2,0,0,0,0|1,1,0]=4 165 B10R1.59 Cc1cc(sc1C(=O)O)I DA-37274 [0,2,0,0,0,0|1,1,0]=4 166 B10R1.59 c1c(c(oc1Cl)C(=O)O)Cl DA-24633 [0,2,0,0,0,0|1,0,0]=3 167 B10R1.194 Cc1c(ncn1C)C(=O)C DA-31655 [0,2,0,0,0,0|2,0,0]=4 168 B10R1.194 Cc1csc(c1Cl)C(=O)O DA-23790 [0,2,0,0,0,0|1,1,0]=4 169 B10R1.194 Cn1c(ccc1Br)C(=O)O DA-37918 [0,2,0,0,0,0|2,0,0]=4 170 B10R1.39 CCc1c(ocn1)C(=O)O DA-39424 [0,2,0,0,0,0|2,0,0]=4 171 B10R1.39 CCc1ccoc1C(=O)O DA-23646 [0,2,0,0,0,0|1,0,0]=3 172 B10R1.192 c1cn(c(c1Cl)C(=O)N)N DA-29825 [0,2,0,0,0,0|2,0,0]=4 173 B8R1.5 c1cocc(c1=O)O DA-23558 [0,0,1,1,0,0|1,0,1]=4 174 B10R2.16 c1cc(oc1)C2(CC2)N DA-31390 [0,1,0,1,0,0|1,0,1]=4 175 B10R1.18 CC(=N)Nc1ccccc1 DA-44930 [0,0,0,0,0,2|2,0,0]=4 176 B10R1.66 CC(=O)C=Cc1cncs1 DA-48306 [0,0,0,0,0,2|1,1,0]=4 177 B10R1.66 CC(=O)CCc1cccs1 DA-22764 [0,0,0,0,0,2|0,1,0]=3 178 B10R1.66 CC(=O)CCc1cncs1 DA-48319 [0,0,0,0,0,2|1,1,0]=4 179 B10R1.66 CC(=O)CCc1cscn1 DA-48316 [0,0,0,0,0,2|2,0,0]=4 180 B10R1.66 CC(=O)CCc1nccs1 DA-40398 [0,0,0,0,0,2|1,1,0]=4